3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine

C7H3F4IN2O3 — CID 134678900

IUPAC3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1nc(I)cc(OC(F)(F)F)c1CF
InChIInChI=1S/C7H3F4IN2O3/c8-2-3-4(17-7(9,10)11)1-5(12)13-6(3)14(15)16/h1H,2H2
InChIKeyISAMBBZYMCLQRP-UHFFFAOYSA-N
MW366.01 g/mol
LogP2.96
Rot. Bonds3

About 3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine

3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine (PubChem CID 134678900) has the molecular formula C7H3F4IN2O3 and a molecular weight of 366.01 g/mol. Its IUPAC name is 3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine
PubChem CID134678900
Molecular FormulaC7H3F4IN2O3
Molecular Weight366.01 g/mol
Exact Mass365.91
IUPAC Name3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1nc(I)cc(OC(F)(F)F)c1CF
InChIInChI=1S/C7H3F4IN2O3/c8-2-3-4(17-7(9,10)11)1-5(12)13-6(3)14(15)16/h1H,2H2
InChIKeyISAMBBZYMCLQRP-UHFFFAOYSA-N
XLogP2.96
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.01
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-iodo-4-methoxy-2-nitro-3-(trifluoromethoxy)pyridine
CID 134680699
[2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134678950
4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 118845540
2-[6-iodo-3-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134660035
6-iodo-3-nitro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134679606
[6-methoxy-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134682014
ethyl 2-iodo-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134666793
2-[3-iodo-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134678939
3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134664731
[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118802984
methyl 2-[2-(fluoromethyl)-6-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134665564
2-(fluoromethyl)-1-nitro-3-(trifluoromethoxy)benzene
CID 170837030

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine?
The IUPAC name of 3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine (CID 134678900) is 3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine is O=[N+]([O-])c1nc(I)cc(OC(F)(F)F)c1CF.
What is the InChIKey of 3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine?
The InChIKey is ISAMBBZYMCLQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4IN2O3/c8-2-3-4(17-7(9,10)11)1-5(12)13-6(3)14(15)16/h1H,2H2.
What are the key properties of 3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine?
3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine has a molecular weight of 366.01 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134678900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).